[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H20FN3O2 — CID 135117191

IUPAC[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CC(Oc3ccccc3F)C2)c1)N1CCCC1
InChIInChI=1S/C19H20FN3O2/c20-16-5-1-2-6-17(16)25-15-12-23(13-15)18-11-14(7-8-21-18)19(24)22-9-3-4-10-22/h1-2,5-8,11,15H,3-4,9-10,12-13H2
InChIKeyFFPZEWFTPRUFFH-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.72
Rot. Bonds4

About [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 135117191) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID135117191
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CC(Oc3ccccc3F)C2)c1)N1CCCC1
InChIInChI=1S/C19H20FN3O2/c20-16-5-1-2-6-17(16)25-15-12-23(13-15)18-11-14(7-8-21-18)19(24)22-9-3-4-10-22/h1-2,5-8,11,15H,3-4,9-10,12-13H2
InChIKeyFFPZEWFTPRUFFH-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 135117191) is [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(N2CC(Oc3ccccc3F)C2)c1)N1CCCC1.
What is the InChIKey of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FFPZEWFTPRUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-5-1-2-6-17(16)25-15-12-23(13-15)18-11-14(7-8-21-18)19(24)22-9-3-4-10-22/h1-2,5-8,11,15H,3-4,9-10,12-13H2.
What are the key properties of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135117191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).